There are 2 repositories under schrodinger topic.
Une simulation de l'évolution d'un paquet d'onde gaussien
Solving Schrodinger Equation Numerically
2D Time independent Schroedinger equation solver
Schrodinger-Poisson solver in 1D demonstrator
Quantum to Molecular Mechanics (Q2MM)
This repository contains Python 3 scripts for simulating the passage of a 2D Gaussian wave packet through a double slit. For this, the 2D Schrödinger equation is solved using the Crank-Nicolson numerical method.
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Computes the electronic band structure of Zinc Blende semiconductor
Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN
GPU Gross-Pitaevskii Equation numerical solver for rapidly rotating Bose-Einstein condensates. Further development and maintenance from https://github.com/GPUE-group/GPUE
Computes the electronic band structure of bulk ZB semiconductor with various k.p models
3D Time independent Schroedinger equation solver
1D Time independent Schroedinger equation solver
An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynamics and kinetics.
Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.
Scattering on a Lennard-Jones potential, cross-section computation.
1D Schroedinger solver in semiconductor with effective mass
1D Schroedinger solver in semiconductor with non-parabolicity
Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready for a large scale virtual screening for certain protein target.
Solve the N-D time-independent Schrödinger equation for a single particle.
MIRROR of https://codeberg.org/catseye/Schroedingers-Game-of-Life : Conway's Game of Life meets Schrödinger's Cat
Computes the electronic band structure of bulk Wurtzite semiconductors
Schrodinger-Poisson solver in 1D in the conduction band
:rocket: Solve the time-dependent Schrodinger equation in unbounded domain
1D Schroedinger solver in semiconductor with non-parabolicity in Zinc-Blende
Schrodinger-Poisson solver with Dirichlet boundary condition
Schrodinger molecular modeling suite - tutorials and scripts
Computes and plot the electrons distribution in the ZB Brillouin zone
2D time independent Schroedinger equation solver on inhomogeneous grid
This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches at the University of Antwerp (Belgium)
1D Schrodinger solver with effective mass on NON-REGULAR GRID
Solves one dimensional Schrodinger problem using several methods.